Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | PRKACG | P22612 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28602452 | 0.82 | CDK5 (0.56) | CDK5CDK5R1HTR1AHTR2BCCNT1 | |
| SCHEMBL1352370 | 0.75 | IMPDH2 (0.51) | NR4A2CDK5CDK5R1HTR2BCDK2 | |
| SCHEMBL739276 | 0.72 | NPC1 (0.53) | PIN1ADRA1DADRA1ABRD4KDM4E | |
| SCHEMBL30457886 | 0.72 | NPC1 (0.53) | PIN1ADRA1DADRA1ABRD4KDM4E | |
| SCHEMBL30369528 | 0.71 | CDK5 (0.71) | CDK5CDK5R1HTR1AHTR2BCCNT1 | |
| SCHEMBL28982776 | 0.71 | CDK5 (0.71) | CDK5CDK5R1HTR1AHTR2BCCNT1 | |
| SCHEMBL2801771 | 0.70 | HPGDS (0.42) | NR4A2PIN1ADRA1DADRA1ABRD4 | |
| SCHEMBL27681988 | 0.69 | GPR84 (0.53) | GPR84NR4A2SLC6A4IDO1ALDH1A1 | |
| SCHEMBL6838475 | 0.69 | CHEK1 (0.49) | CDK5CDK5R1CCNT1CCNA2CDK2 | |
| SCHEMBL29197589 | 0.68 | IMPDH2 (0.50) | NR4A2CDK5CDK5R1HTR2BGSK3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113185503-B | Natural product Pimpirinine derivative and preparation method and application thereof | 南京农业大学 | 2023-02-28 | — | — | CN | disclosed |
| CN-113185503-A | Natural product Pimpirinine derivative and preparation method and application thereof | 南京农业大学 | 2021-07-30 | — | — | CN | disclosed |